Re: [QE-users] lattice parameters using ev.x

2022-04-04 Thread Lorenzo Paulatto
If you specify "noncubic" on the second step you can just provide the volume.

kind regards
--
Lorenzo Paulatto - Paris
On Apr 4 2022, at 4:21 pm, Pooja Vyas  wrote:
> Dear users,
>
> As an input for ev.x, I've provided E-V data for tetragonal bct. In its 
> output I obtained the equilibrium volume. May I know how to extract lattice 
> parameters 'a' and 'c' from it?
>
> Regards.
> ___
> The Quantum ESPRESSO community stands by the Ukrainian
> people and expresses its concerns about the devastating
> effects that the Russian military offensive has on their
> country and on the free and peaceful scientific, cultural,
> and economic cooperation amongst peoples
> ___
> Quantum ESPRESSO is supported by MaX (www.max-centre.eu)
> users mailing list users@lists.quantum-espresso.org
> https://lists.quantum-espresso.org/mailman/listinfo/users

___
The Quantum ESPRESSO community stands by the Ukrainian
people and expresses its concerns about the devastating
effects that the Russian military offensive has on their
country and on the free and peaceful scientific, cultural,
and economic cooperation amongst peoples
___
Quantum ESPRESSO is supported by MaX (www.max-centre.eu)
users mailing list users@lists.quantum-espresso.org
https://lists.quantum-espresso.org/mailman/listinfo/users

[QE-users] lattice parameters using ev.x

2022-04-04 Thread Pooja Vyas
Dear users,

As an input for ev.x, I've provided E-V data for tetragonal bct. In its
output I obtained the equilibrium volume. May I know how to extract lattice
parameters 'a' and 'c' from it?

Regards.
___
The Quantum ESPRESSO community stands by the Ukrainian
people and expresses its concerns about the devastating
effects that the Russian military offensive has on their
country and on the free and peaceful scientific, cultural,
and economic cooperation amongst peoples
___
Quantum ESPRESSO is supported by MaX (www.max-centre.eu)
users mailing list users@lists.quantum-espresso.org
https://lists.quantum-espresso.org/mailman/listinfo/users